EcoDrugPlus


Synonyms	FEMA NO. 4710 L-threonine NSC-16589 NSC-46701 Threonine
Status
Molecule Category	Free-form
UNII	2ZD004190S
EPA CompTox	DTXSID2046412

Synonyms

FEMA NO. 4710

L-threonine

NSC-16589

NSC-46701

Threonine

Status

Molecule Category

Free-form

UNII

2ZD004190S

EPA CompTox

DTXSID2046412


InChI Key	AYFVYJQAPQTCCC-GBXIJSLDSA-N
Smiles	C[C@@H](O)[C@H](N)C(=O)O
InChI	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1

InChI Key

AYFVYJQAPQTCCC-GBXIJSLDSA-N

Smiles

C[C@@H](O)[C@H](N)C(=O)O

InChI

InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1

Property Name	Value
Molecular Formula	C4H9NO3
Molecular Weight	119.12
AlogP	-1.22
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	83.55
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H9NO3

Molecular Weight

119.12

AlogP

-1.22

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

83.55

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

8.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Sporosarcina	-	-	-	-	61

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Sporosarcina

Resources	Reference
CAS NUMBER	72-19-5
ChEBI	57926
ChEMBL	CHEMBL291747
DrugBank	DB00156
DrugCentral	4254
FDA SRS	2ZD004190S
Human Metabolome Database	HMDB0000167
Guide to Pharmacology	4785
KEGG	C00188
PDB	THR
PharmGKB	PA451673
PubChem	6288
SureChEMBL	SCHEMBL1480
ZINC	ZINC000000895103

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0000167

Guide to Pharmacology

KEGG

PDB

PharmGKB

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 27^th July 2026

THREONINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References